3-iodanylprop-2-ynyl 3-methyl-4-nitro-benzoate

Systemtic Name: 3-iodanylprop-2-ynyl 3-methyl-4-nitro-benzoate Openeye Name: 3-iodoprop-2-ynyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 3-iodoprop-2-ynyl ester Formula: C11H8INO4 MolecularWeight: 345.08999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC#CI)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC#CI)[N+](=O)[O-]

InChI

InChI=1S/C11H8INO4/c1-8-7-9(3-4-10(8)13(15)16)11(14)17-6-2-5-12/h3-4,7H,6H2,1H3